Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8333b85b0f20a2bbc7c825fdea45917",
"space_group_name": "P 1",
"unit_cell": {
"a": 42.936,
"b": 83.778,
"c": 84.917,
"alpha": 101.598,
"beta": 96.027,
"gamma": 94.673
},
"wavelengths": [0.95374],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.538,1.98],
"number_observations_unique": 77693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.016,1.98],
"number_observations_unique": 3823,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.315
},
{
"type": "R(meas)",
"value": 1.63
},
{
"type": "R(pim)",
"value": 0.948
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Completeness",
"value": 97
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.310
}
]
}
]
}